2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H20N3OS+ MolecularWeight: 338.4466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CN3CCCSC4=CC=CC=C43

InChI

InChI=1S/C19H19N3OS/c1-14-6-4-9-18-20-15(12-19(23)22(14)18)13-21-10-5-11-24-17-8-3-2-7-16(17)21/h2-4,6-9,12H,5,10-11,13H2,1H3/p+1